N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine

C14H21FN2 — CID 63643681

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine
SMILESCc1cc(CN(C)C2CCCNC2)ccc1F
InChIInChI=1S/C14H21FN2/c1-11-8-12(5-6-14(11)15)10-17(2)13-4-3-7-16-9-13/h5-6,8,13,16H,3-4,7,9-10H2,1-2H3
InChIKeyYXPZDIQERHHIAE-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.32
Rot. Bonds3

About N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine

N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine (PubChem CID 63643681) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine
PubChem CID63643681
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine
SMILESCc1cc(CN(C)C2CCCNC2)ccc1F
InChIInChI=1S/C14H21FN2/c1-11-8-12(5-6-14(11)15)10-17(2)13-4-3-7-16-9-13/h5-6,8,13,16H,3-4,7,9-10H2,1-2H3
InChIKeyYXPZDIQERHHIAE-UHFFFAOYSA-N
XLogP2.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 106817825
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 63642278
N-[(2,6-difluorophenyl)methyl]-N-methylpiperidin-3-amine
CID 55248730
3-[[methyl(piperidin-3-yl)amino]methyl]phenol
CID 63644225
N-methyl-N-[(6-methyl-3-pyridinyl)methyl]piperidin-3-amine
CID 104822677
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methylazepan-4-amine
CID 104974295
N-[(3-chloro-4-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 65026309
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118960
N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-3-amine
CID 63642105
4-[[azepan-4-yl(methyl)amino]methyl]-2-fluorophenol
CID 107692170
2-ethoxy-4-[[methyl(piperidin-3-yl)amino]methyl]phenol
CID 55249893
(3R)-N-[(2-bromo-4-pyridinyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 71641627

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine (CID 63643681) is N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine is Cc1cc(CN(C)C2CCCNC2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine?
The InChIKey is YXPZDIQERHHIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11-8-12(5-6-14(11)15)10-17(2)13-4-3-7-16-9-13/h5-6,8,13,16H,3-4,7,9-10H2,1-2H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine?
N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine has a molecular weight of 236.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 63643681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).